General Information of the Compound
| Compound ID |
CP0404804
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| Compound Name |
N-methyl-N-(thiophen-2-ylmethyl)-1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
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| Structure |
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| Formula |
C24H30N6S
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| Molecular Weight |
434.613
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| Canonical SMILES |
CN(Cc1cccs1)C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1
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| InChI |
InChI=1S/C24H30N6S/c1-28(16-22-5-3-13-31-22)20-8-11-29(12-9-20)10-2-4-19-15-25-24-7-6-21(14-23(19)24)30-17-26-27-18-30/h3,5-7,13-15,17-18,20,25H,2,4,8-12,16H2,1H3
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| InChIKey |
BCMVUEDKNGBXFR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D